SCHEMBL28907112

SCHEMBL28907112

COC(C)(C)[C@H]1CC[C@@H](c2cccc(F)c2)N1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.48
CALCRL Q16602 7/20 0.47
PDE5A O76074 1/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
JAK2 O60674 2/20 0.39
NTRK1 P04629 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28521349 0.89 RIPK1 (0.50) RIPK1CALCRLPDE5APSEN1PSEN2
SCHEMBL20835904 0.89 RIPK1 (0.50) RIPK1CALCRLPDE5APSEN1PSEN2
SCHEMBL20835539 0.87 CALCRL (0.49) RIPK1CALCRLPDE5AMAOBMAOA
SCHEMBL28528682 0.87 RIPK1 (0.47) RIPK1CALCRLPDE5AJAK2NTRK1
SCHEMBL20835797 0.87 RIPK1 (0.48) RIPK1CALCRLPDE5APSEN1PSEN2
SCHEMBL28518941 0.86 RIPK1 (0.47) RIPK1CALCRLPDE5APSEN1PSEN2
SCHEMBL28529975 0.86 RIPK1 (0.47) RIPK1CALCRLPDE5APSEN1PSEN2
SCHEMBL28521345 0.86 RIPK1 (0.47) RIPK1CALCRLPDE5APSEN1PSEN2
SCHEMBL28522965 0.85 CALCRL (0.49) RIPK1CALCRL
SCHEMBL28907087 0.85 CALCRL (0.48) RIPK1CALCRLPDE5AJAK2NTRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476639-B Pyrrolidine derivatives 橘生药品工业股份有限公司 2021-02-26 CN disclosed